HRID159757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

结构：CC1(C)C(=O)NC(=O)c2c1ccc(N)c2[N+](=O)[O-]

HCID11118443

1,3(2H,4H)-Isoquinolinedione, 7-amino-4,4-dimethyl-8-nitro-

C11H11N3O4

结构：COc1ccc(CCN(CCCO)C(=O)OC(C)(C)C)cc1OC

HCID59645489

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CCN(CCCN2C(=O)c3c(ccc(N)c3[N+](=O)[O-])C(C)(C)C2=O)C(=O)OC(C)(C)C)cc1OC

HCID59645476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1b22a2a19dc4860a5f0b5b8e21ca456
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:76]1[O:77][CH2:78][CH2:79][CH2:80]1.[NH2:15][c:16]1[cH:17][cH:18][c:19]2[c:24]([c:25]1[N+:26](=[O:27])[O-:28])[C:23](=[O:29])[NH:22][C:21](=[O:30])[C:20]2([CH3:31])[CH3:32].[O:1]=[C:2]([O:3][CH:4]([CH3:5])[CH3:6])[N:7]=[N:8][C:9]([O:10][CH:11]([CH3:12])[CH3:13])=[O:14].[OH:33][CH2:34][CH2:35][CH2:36][N:37]([C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:45][CH2:46][c:47]1[cH:48][c:49]([O:55][CH3:56])[c:50]([O:53][CH3:54])[cH:51][cH:52]1.[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[NH2:15][c:16]1[cH:17][cH:18][c:19]2[c:24]([c:25]1[N+:26](=[O:27])[O-:28])[C:23](=[O:29])[N:22]([CH2:34][CH2:35][CH2:36][N:37]([C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:45][CH2:46][c:47]1[cH:48][c:49]([O:55][CH3:56])[c:50]([O:53][CH3:54])[cH:51][cH:52]1)[C:21](=[O:30])[C:20]2([CH3:31])[CH3:32]